Distinguished Seminar in Computational Science and Engineering: Giulia Galli, 2/24/2022

Title: Quantum embedding methods for simulations of materials on quantum computers
Speaker: Giulia Galli
Liew Family Professor of Electronic Structure and Simulations
Pritzker School of Molecular Engineering and Dept. of Chemistry
University of Chicago
Senior Scientist and MICCoM Director
Argonne National Laboratory
Abstract: Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. We discuss computational frameworks to carry out electronic structure calculations of solids on noisy intermediate scale quantum computers using embedding theories, and we give examples for a specific class of materials, i.e., spin defects in solids. These are promising systems to build future quantum technologies, e.g., computers, sensors and devices for quantum communications. Although quantum simulations on quantum architectures are in their infancy, promising results for realistic systems appear to be within reach.
Bio: Giulia Galli is the Liew Family professor of Electronic Structure and Simulations in the Pritzker School of Molecular Engineering and the Department of Chemistry at the University of Chicago. She also holds a Senior Scientist position at Argonne National Laboratory, where she is the director of the Midwest Integrated Center for Computational Materials (miccom-center.org/). She is an elected member of the US National Academy of Sciences, the American Academy of Arts and Science, the American Association for the Advancement of Science, and the International Academy of Quantum Molecular Science. Her recognitions include the Raman Prize in Computational Physics and the David Adler Award in Materials Physics from the American Physical Society, the Theory Award from the Materials Research Society, the Feynman Nanotechnology Prize in Theory, and the Tomassoni-Chisesi award by La Sapienza University in Italy. She is an expert in the development of theoretical and computational methods to predict and engineer material and molecular properties from first principles. Her research focuses on problems relevant to the development of sustainable energy sources and quantum technologies (galligroup.uchicago.edu/).

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